butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine

C23H30N4 — CID 174847300

IUPACbutan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCCCCN.NC1(c2ccc(-c3nccn3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H19N3.C4H11N/c20-19(11-4-12-19)16-9-7-15(8-10-16)18-21-13-14-22(18)17-5-2-1-3-6-17;1-2-3-4-5/h1-3,5-10,13-14H,4,11-12,20H2;2-5H2,1H3
InChIKeyUKUJBSOTKIDEDI-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.62
Rot. Bonds5

About butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine

butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 174847300) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Namebutan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine
PubChem CID174847300
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Namebutan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine
SMILESCCCCN.NC1(c2ccc(-c3nccn3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H19N3.C4H11N/c20-19(11-4-12-19)16-9-7-15(8-10-16)18-21-13-14-22(18)17-5-2-1-3-6-17;1-2-3-4-5/h1-3,5-10,13-14H,4,11-12,20H2;2-5H2,1H3
InChIKeyUKUJBSOTKIDEDI-UHFFFAOYSA-N
XLogP4.62
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine (CID 174847300) is butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine is CCCCN.NC1(c2ccc(-c3nccn3-c3ccccc3)cc2)CCC1.
What is the InChIKey of butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is UKUJBSOTKIDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3.C4H11N/c20-19(11-4-12-19)16-9-7-15(8-10-16)18-21-13-14-22(18)17-5-2-1-3-6-17;1-2-3-4-5/h1-3,5-10,13-14H,4,11-12,20H2;2-5H2,1H3.
What are the key properties of butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine?
butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 362.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;1-[4-(1-phenylimidazol-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 174847300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).